(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine

C16H14FN3 — CID 107130474

IUPAC(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
SMILESCc1ccc(C(N)c2cccc3nccnc23)cc1F
InChIInChI=1S/C16H14FN3/c1-10-5-6-11(9-13(10)17)15(18)12-3-2-4-14-16(12)20-8-7-19-14/h2-9,15H,18H2,1H3
InChIKeyJLWUTMPNTMTJEN-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.13
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine

(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine (PubChem CID 107130474) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
PubChem CID107130474
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
SMILESCc1ccc(C(N)c2cccc3nccnc23)cc1F
InChIInChI=1S/C16H14FN3/c1-10-5-6-11(9-13(10)17)15(18)12-3-2-4-14-16(12)20-8-7-19-14/h2-9,15H,18H2,1H3
InChIKeyJLWUTMPNTMTJEN-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 105140227
(4-fluorophenyl)-quinoxalin-5-ylmethanamine
CID 105087841
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 106883959
(2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130189
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine
CID 105142151
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
CID 107129090
(3-fluoro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156098
(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
CID 105021239

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine (CID 107130474) is (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine is Cc1ccc(C(N)c2cccc3nccnc23)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine?
The InChIKey is JLWUTMPNTMTJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-5-6-11(9-13(10)17)15(18)12-3-2-4-14-16(12)20-8-7-19-14/h2-9,15H,18H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine?
(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine has a molecular weight of 267.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 107130474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).